SCHEMBL7105169

SCHEMBL7105169

O=S(=O)([O-])Nc1ccc(-c2nc3ccccc3o2)cc1.[Na+]

nearest known ligand 0.70

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 19/20 0.70
▸ PTPN1 P18031 19/20 0.70
▸ PTPN2 P17706 18/20 0.70
▸ MEN1 O00255 1/20 0.70
▸ MAPT P10636 1/20 0.70
▸ HPGD P15428 1/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ HSD17B10 Q99714 1/20 0.70
▸ HSPD1 P10809 10/20 0.67
▸ HSPE1 P61604 10/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7111491 0.84 PTPN5 (0.71) PTPN5PTPN1PTPN2MEN1MAPT
SCHEMBL24295077 0.79 PTPN1 (0.63) PTPN5PTPN1PTPN2MEN1MAPT
SCHEMBL24155564 0.79 NPC1 (0.67) PTPN5PTPN1PTPN2MEN1MAPT
SCHEMBL31170 0.78 NPC1 (0.81) PTPN5PTPN1PTPN2MEN1MAPT
SCHEMBL30684942 0.78 PTPN1 (0.80) PTPN5PTPN1PTPN2MEN1MAPT
SCHEMBL8120431 0.78 PTPN1 (0.64) PTPN5PTPN1PTPN2MEN1MAPT
SCHEMBL31476 0.77 NPC1 (0.79) PTPN5PTPN1PTPN2MEN1MAPT
Methane SCHEMBL29265168 0.77 NPC1 (0.79) PTPN5PTPN1PTPN2MEN1MAPT
SCHEMBL20656686 0.76 BCHE (0.66) PTPN5PTPN1PTPN2MEN1MAPT
SCHEMBL1660542 0.76 NPC1 (0.67) PTPN5PTPN1PTPN2MEN1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0812319-B9 2-ARYLBENZAZOLE COMPOUNDS CANCER RES VENTURES LTD (GB) 2003-10-08 — — EP claimed
EP-0812319-B1 2-ARYLBENZAZOLE COMPOUNDS CANCER RES VENTURES LTD (GB) 2002-07-10 — — EP claimed
US-6034246-A ANTICANCER AGENT CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-03-07 — — US claimed
EP-0812319-A1 2-ARYLBENZAZOLE COMPOUNDS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-12-17 — — EP claimed
WO-1996026932-A1 2-ARYLBENZAZOLE COMPOUNDS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-09-06 — — WO claimed
EP-0812319-B9 2-ARYLBENZAZOLE COMPOUNDS CANCER RES VENTURES LTD (GB) 2003-10-08 — — EP disclosed
EP-0812319-B1 2-ARYLBENZAZOLE COMPOUNDS CANCER RES VENTURES LTD (GB) 2002-07-10 — — EP disclosed
US-6034246-A ANTICANCER AGENT CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-03-07 — — US disclosed
EP-0812319-A1 2-ARYLBENZAZOLE COMPOUNDS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-12-17 — — EP disclosed
WO-1996026932-A1 2-ARYLBENZAZOLE COMPOUNDS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-09-06 — — WO disclosed
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